Overview¶
lightshow version 1.2.7 | PyPI link
Lightshow is a Python library for easily generating computational spectroscopy input files. If you use our code, please consider citing our manuscript in the Journal of Open Source Software and our multi-code benchmark paper, which provides the methods and default parameters used in Lightshow.
Often, it can be daunting to create comprehensive, well documented databases of materials structures and their x-ray absorption spectra. Lightshow solves this problem, allowing new users to choose sensible defaults for their calculations, while simultaneously exposing all functionality for experts.
Lightshow aims to provide a “one-stop-shop” for input file generation, and currently supports the following codes:
with more on the way! The software is intended to be user-friendly, extensively documented and tested, and extendable for those users who wish to add additional spectroscopy functionalities. There are also a few comprehensive tutorials to help you get started.